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Fenquinotrione

CAT: 0931-T82410-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82410-01Size:5 mg
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CAS Number
1342891-70-6
Target
Reactive Oxygen Species, Others
Related Pathways
Metabolism, NF-κB, Immunology/Inflammation, Others
Bioactivity
Fenquinotrione, a 4-hydroxyphenylpyruvate dioxygenase (HPPD) inhibitor, exhibits IC50 values of 27.2 and 44.7 nM against HPPD from rice and Arabidopsis thaliana, respectively. As an herbicide, it effectively controls a wide spectrum of broadleaf and sedge weeds while demonstrating notable selectivity for rice [1].
Smiles
O=C1C(=NC=2C(Cl)=CC=CC2N1C3=CC=C(OC)C=C3)C(=O)C4C(=O)CCCC4=O
Molecular Formula
C22H17ClN2O5
Molecular Weight
424.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fenquinotrione
CAS Number1342891-70-6
PubChem CID71463595
IUPAC Name2-[8-chloro-4-(4-methoxyphenyl)-3-oxoquinoxaline-2-carbonyl]cyclohexane-1,3-dione
Molecular FormulaC22H17ClN2O5
Molecular Weight424.8
XLogP2.9
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity757
SMILES
COC1=CC=C(C=C1)N2C3=C(C(=CC=C3)Cl)N=C(C2=O)C(=O)C4C(=O)CCCC4=O
InChI
InChI=1S/C22H17ClN2O5/c1-30-13-10-8-12(9-11-13)25-15-5-2-4-14(23)19(15)24-20(22(25)29)21(28)18-16(26)6-3-7-17(18)27/h2,4-5,8-11,18H,3,6-7H2,1H3
InChIKey
KPSTXQYTZBZXMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenquinotrione
CAS: 1342891-70-6
CID: 71463595
Formula: C22H17ClN2O5
MW: 424.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.8
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass424.0825993
Monoisotopic Mass424.0825993
Topological Polar Surface Area93.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5824062Fenquinotrione
TRC-D023630-100MGDes-(2-cyclohexane-1,3-dione) Fenquinotrione Chloride
TRC-D023625-250MGDes-(2-cyclohexane-1,3-dione) Fenquinotrione Ethyl Ester

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